loading...| Preferred Name |
selexipag |
|
| Synonyms |
2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide ACT 293987 NS-304 ACT-293987 selexipag Uptravi NS 304 |
|
| Definitions |
A member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90844 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:26699168 PMID:25277144 PMID:26152132 Drug_Central:5077 PMID:26291199 KEGG:D09994 PMID:24392948 PMID:25850750 PMID:25552906 PMID:25851691 PMID:26567613 Wikipedia:Selexipag CAS:475086-01-2 Reaxys:11140227 |
|
| definition |
A member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid). |
|
| formula |
C26H32N4O4S |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50427 http://purl.obolibrary.org/obo/CHEBI_35620 http://purl.obolibrary.org/obo/CHEBI_71031 |
|
| has_exact_synonym |
2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ACT 293987 NS-304 ACT-293987 selexipag Uptravi NS 304 |
|
| id |
CHEBI:90844 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31) |
|
| inchikey |
QXWZQTURMXZVHJ-UHFFFAOYSA-N |
|
| label |
selexipag |
|
| mass |
496.624 |
|
| monoisotopicmass |
496.21443 |
|
| notation |
CHEBI:90844 |
|
| prefLabel |
selexipag |
|
| smiles |
C1(=C(N=CC(=N1)N(CCCCOCC(NS(C)(=O)=O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_38314 http://purl.obolibrary.org/obo/CHEBI_29347 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_38314 http://purl.obolibrary.org/obo/CHEBI_29347 |